CID 343801

4-(4-chlorobenzenesulfonyl)phenol

Structural Information

Molecular Formula
C12H9ClO3S
SMILES
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H
InChIKey
LFASIQLVFCSCCU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

713
Patents

267.9961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00338 153.1
[M+Na]+ 290.98532 163.6
[M-H]- 266.98882 159.6
[M+NH4]+ 286.02992 170.5
[M+K]+ 306.95926 157.7
[M+H-H2O]+ 250.99336 148.0
[M+HCOO]- 312.99430 166.5
[M+CH3COO]- 327.00995 188.3
[M+Na-2H]- 288.97077 157.9
[M]+ 267.99555 157.2
[M]- 267.99665 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe